(5-bromanyl-2-oxidanyl-phenyl)-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C12H10BrF3N2O3 MolecularWeight: 367.11861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C12H10BrF3N2O3/c1-6-5-11(21,12(14,15)16)18(17-6)10(20)8-4-7(13)2-3-9(8)19/h2-4,19,21H,5H2,1H3/t11-/m0/s1